2-[2-[(Z)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C16H15N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C16H15N3O6 |
| Smiles | OC(COc1c(/C=N\NC(CNC(c2ccco2)=O)=O)cccc1)=O |
| InChI | InChI=1S/C16H15N3O6/c20-14(9-17-16(23)13-6-3-7-24-13)19-18-8-11-4-1-2-5-12(11)25-10-15(21)22/h1-8H,9-10H2,(H,17,23)(H,19,20)(H,21,22) |
| InChIK | AVMXWCDUNURJJY-UHFFFAOYSA-N |
| TotalMolweight | 345.31 |
| Molweight | 345.31 |
| MonoisotopicMass | 345.096087 |
| CLogP | 0.534 |
| CLogS | -2.963 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 267.51 |
| Relative PSA | 0.41404 |
| PolarSurfaceArea | 130.23 |
| Druglikeness | 5.6638 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[2-[(Z)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off